N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide

C10H16BrNO2S2 — CID 114294053

IUPACN-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide
SMILESCCC(CC)(CBr)NS(=O)(=O)c1cccs1
InChIInChI=1S/C10H16BrNO2S2/c1-3-10(4-2,8-11)12-16(13,14)9-6-5-7-15-9/h5-7,12H,3-4,8H2,1-2H3
InChIKeyNCVFWNWHQOPJLK-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.98
Rot. Bonds6

About N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide

N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide (PubChem CID 114294053) has the molecular formula C10H16BrNO2S2 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide
PubChem CID114294053
Molecular FormulaC10H16BrNO2S2
Molecular Weight326.28 g/mol
Exact Mass324.98
IUPAC NameN-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide
SMILESCCC(CC)(CBr)NS(=O)(=O)c1cccs1
InChIInChI=1S/C10H16BrNO2S2/c1-3-10(4-2,8-11)12-16(13,14)9-6-5-7-15-9/h5-7,12H,3-4,8H2,1-2H3
InChIKeyNCVFWNWHQOPJLK-UHFFFAOYSA-N
XLogP2.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 64555451
N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide
CID 114795664
methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate
CID 93045702
N-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 2317336
N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide
CID 25048155
2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide
CID 61121428
N-methylthiophene-2-sulfonamide;molecular hydrogen
CID 143039868
N-pentylthiophene-2-sulfonamide
CID 5150701
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-fluorobenzenesulfonamide
CID 114011015
N-fluorothiophene-2-sulfonamide
CID 175398216
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[2-(ethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119973565

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide (CID 114294053) is N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide is CCC(CC)(CBr)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide?
The InChIKey is NCVFWNWHQOPJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2S2/c1-3-10(4-2,8-11)12-16(13,14)9-6-5-7-15-9/h5-7,12H,3-4,8H2,1-2H3.
What are the key properties of N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide?
N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide has a molecular weight of 326.28 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 114294053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).